1-[5-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]carbonyl-4-piperidin-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-[5-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]carbonyl-4-piperidin-1-yl-piperidine-4-carboxamide Openeye Name: 1-[5-methyl-4-[4-(2-pyridyl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carbonyl]-4-(1-piperidyl)piperidine-4-carboxamide CAS Name: 1-[[5-methyl-4-[4-(2-pyridinyl)-1-piperazinyl]-6-thieno[2,3-d]pyrimidinyl]-oxomethyl]-4-(1-piperidinyl)-4-piperidinecarboxamide IUPAC Name: 1-[5-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide Traditional Name: 1-[5-methyl-4-[4-(2-pyridyl)piperazino]thieno[2,3-d]pyrimidine-6-carbonyl]-4-piperidino-isonipecotamide Formula: C28H36N8O2S MolecularWeight: 548.70284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N3CCN(CC3)C4=CC=CC=N4)C(=O)N5CCC(CC5)(C(=O)N)N6CCCCC6

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CCN(CC3)C4=CC=CC=N4)C(=O)N5CCC(CC5)(C(=O)N)N6CCCCC6

InChI

InChI=1S/C28H36N8O2S/c1-20-22-24(34-17-15-33(16-18-34)21-7-3-4-10-30-21)31-19-32-25(22)39-23(20)26(37)35-13-8-28(9-14-35,27(29)38)36-11-5-2-6-12-36/h3-4,7,10,19H,2,5-6,8-9,11-18H2,1H3,(H2,29,38)